Esprocarb
TL;DR: Esprocarb (CAS 85785-20-2) is a chemical compound with molecular formula C15H23NOS and molecular weight 265.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-benzyl N-ethyl-N-(3-methylbutan-2-yl)carbamothioate
Also Known As: Esprocarb, Fuji grass, Esprocarb [ISO], SC 2957, Esprocarb 10
| Molecular Formula | C15H23NOS |
|---|---|
| Molecular Weight | 265.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.15002 |
| Heavy Atoms | 18 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 85785-20-2 |
|---|---|
| SMILES | CCN(C(C)C(C)C)C(=O)SCC1=CC=CC=C1 |
| InChIKey | BXEHUCNTIZGSOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Esprocarb (CAS 85785-20-2), with molecular formula C15H23NOS and molecular weight 265.15 g/mol. IUPAC: S-benzyl N-ethyl-N-(3-methylbutan-2-yl)carbamothioate.
Chemical Property Profile of Esprocarb
Property Insights of Esprocarb
The XLogP value of 4.6 indicates that Esprocarb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Esprocarb exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Esprocarb has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Esprocarb?
The CAS number of Esprocarb is 85785-20-2.
What is the molecular formula of Esprocarb?
The molecular formula of Esprocarb is C15H23NOS.
What is the molecular weight of Esprocarb?
The molecular weight of Esprocarb is 265.15 g/mol.
Where can I buy Esprocarb?
You can request a quote for Esprocarb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esprocarb?
Yes, KEHONG BIO provides custom synthesis services for Esprocarb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.